SCHEMBL16308103

SCHEMBL16308103

CSc1nc(O[C@H]2CCCC[C@H]2O)cc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PIK3CD O00329 10/20 0.37
PIK3CA P42336 9/20 0.37
PIK3CG P48736 8/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3C2B O00750 1/20 0.37
MTOR P42345 1/20 0.37
TP53 P04637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16308052 1.00 PIK3CB (0.41) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL16308053 0.87 PIK3CB (0.44) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL15029848 0.85 PIK3CB (0.42) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL15029283 0.85 PIK3CB (0.41) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL15029320 0.85 PIK3CB (0.41) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL15029284 0.84 PIK3CB (0.40) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL16308054 0.84 PIK3CB (0.40) PIK3CBPDCD1CD274PIK3CDPIK3CA
SCHEMBL15029611 0.82 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029615 0.82 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029589 0.79 PIK3CB (0.40) PIK3CBPDCD1CD274PIK3CDPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed